3-methoxy-4-(6-phenylhexoxy)aniline

C19H25NO2 — CID 27231

IUPAC3-methoxy-4-(6-phenylhexoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-21-19-15-17(20)12-13-18(19)22-14-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-13,15H,2-3,5,8-9,14,20H2,1H3
InChIKeyGLLNXISZVSYJPK-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.46
Rot. Bonds9

About 3-methoxy-4-(6-phenylhexoxy)aniline

3-methoxy-4-(6-phenylhexoxy)aniline (PubChem CID 27231) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-methoxy-4-(6-phenylhexoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(6-phenylhexoxy)aniline
PubChem CID27231
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-methoxy-4-(6-phenylhexoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-21-19-15-17(20)12-13-18(19)22-14-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-13,15H,2-3,5,8-9,14,20H2,1H3
InChIKeyGLLNXISZVSYJPK-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(6-phenylhexoxy)aniline?
The IUPAC name of 3-methoxy-4-(6-phenylhexoxy)aniline (CID 27231) is 3-methoxy-4-(6-phenylhexoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(6-phenylhexoxy)aniline?
The canonical SMILES for 3-methoxy-4-(6-phenylhexoxy)aniline is COc1cc(N)ccc1OCCCCCCc1ccccc1.
What is the InChIKey of 3-methoxy-4-(6-phenylhexoxy)aniline?
The InChIKey is GLLNXISZVSYJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-19-15-17(20)12-13-18(19)22-14-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-13,15H,2-3,5,8-9,14,20H2,1H3.
What are the key properties of 3-methoxy-4-(6-phenylhexoxy)aniline?
3-methoxy-4-(6-phenylhexoxy)aniline has a molecular weight of 299.41 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(6-phenylhexoxy)aniline is sourced from PubChem (CID 27231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).